[(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone

C21H24F3N3O2 — CID 66911426

IUPAC[(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1cccc(NC[C@]2(C(=O)c3ccccc3OC(F)(F)F)CC[C@H](C)CN2)n1
InChIInChI=1S/C21H24F3N3O2/c1-14-10-11-20(26-12-14,13-25-18-9-5-6-15(2)27-18)19(28)16-7-3-4-8-17(16)29-21(22,23)24/h3-9,14,26H,10-13H2,1-2H3,(H,25,27)/t14-,20-/m0/s1
InChIKeyKIJXBCYPUJVKRJ-XOBRGWDASA-N
MW407.44 g/mol
LogP4.34
Rot. Bonds6

About [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone

[(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 66911426) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID66911426
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name[(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1cccc(NC[C@]2(C(=O)c3ccccc3OC(F)(F)F)CC[C@H](C)CN2)n1
InChIInChI=1S/C21H24F3N3O2/c1-14-10-11-20(26-12-14,13-25-18-9-5-6-15(2)27-18)19(28)16-7-3-4-8-17(16)29-21(22,23)24/h3-9,14,26H,10-13H2,1-2H3,(H,25,27)/t14-,20-/m0/s1
InChIKeyKIJXBCYPUJVKRJ-XOBRGWDASA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5S)-2-[[(5-bromo-2-pyridinyl)amino]methyl]-5-methylpiperidin-2-yl]-(2-methoxyphenyl)methanone
CID 66911420
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798
(2-methylpiperidin-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 116614015
N'-(4-tert-butylcyclohexyl)-2-(trifluoromethoxy)benzohydrazide
CID 141030215
2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 90510136
2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
CID 111461807
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 155630374
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-2-(trifluoromethoxy)benzamide
CID 69470093
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
6-methyl-N-[[(1S,2R)-2-methylcyclobutyl]methyl]pyridin-2-amine
CID 129451789
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 75515842
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 66911426) is [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone is Cc1cccc(NC[C@]2(C(=O)c3ccccc3OC(F)(F)F)CC[C@H](C)CN2)n1.
What is the InChIKey of [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is KIJXBCYPUJVKRJ-XOBRGWDASA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-14-10-11-20(26-12-14,13-25-18-9-5-6-15(2)27-18)19(28)16-7-3-4-8-17(16)29-21(22,23)24/h3-9,14,26H,10-13H2,1-2H3,(H,25,27)/t14-,20-/m0/s1.
What are the key properties of [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 407.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]piperidin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 66911426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).